5-butyl-2-(1-phenylpropyl)-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-(1-phenylpropyl)-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(1-phenylpropyl)-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(1-phenylpropyl)-4-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(1-phenylpropyl)-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(1-phenylpropyl)-4-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C48H45N7O MolecularWeight: 735.9172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(CC)C8=CC=CC=C8

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(CC)C8=CC=CC=C8

InChI

InChI=1S/C48H45N7O/c1-3-5-30-45-50-54(44(4-2)38-20-10-6-11-21-38)47(56)53(45)35-36-31-33-37(34-32-36)42-28-18-19-29-43(42)46-49-51-52-55(46)48(39-22-12-7-13-23-39,40-24-14-8-15-25-40)41-26-16-9-17-27-41/h6-29,31-34,44H,3-5,30,35H2,1-2H3